4-{[2-(4-methylphenyl)-5-oxo-1,3-oxazol-4(5H)-ylidene]methyl}phenyl 3-nitrobenzoate
Chemical Structure Depiction of
4-{[2-(4-methylphenyl)-5-oxo-1,3-oxazol-4(5H)-ylidene]methyl}phenyl 3-nitrobenzoate
4-{[2-(4-methylphenyl)-5-oxo-1,3-oxazol-4(5H)-ylidene]methyl}phenyl 3-nitrobenzoate
Compound characteristics
| Compound ID: | 3268-0071 |
| Compound Name: | 4-{[2-(4-methylphenyl)-5-oxo-1,3-oxazol-4(5H)-ylidene]methyl}phenyl 3-nitrobenzoate |
| Molecular Weight: | 428.4 |
| Molecular Formula: | C24 H16 N2 O6 |
| Smiles: | Cc1ccc(cc1)C1=NC(=C/c2ccc(cc2)OC(c2cccc(c2)[N+]([O-])=O)=O)\C(=O)O1 |
| Stereo: | ACHIRAL |
| logP: | 4.6464 |
| logD: | 4.6464 |
| logSw: | -4.6277 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 84.135 |
| InChI Key: | DUHXNLLJWOHXOC-UHFFFAOYSA-N |